Age | Commit message (Collapse) | Author | |
---|---|---|---|
2021-01-27 | partialator/reflist: Propagate calloc NULL return | Thomas White | |
This prevents an out-of-memory situation (due to ulimit) from manifesting as a segfault. | |||
2021-01-27 | partialator: Fix (big) memory leaks | Thomas White | |
2021-01-27 | stream_close: Free the DataTemplate | Thomas White | |
2021-01-27 | image_free: Also free the spectrum | Thomas White | |
2021-01-27 | DataTemplate: fix some small memory leaks | Thomas White | |
2021-01-22 | compare_hkl: Remove --intensity-shells | Thomas White | |
No-one uses it, it doubles the complexity of the code, and the manual even warns not to use it. | |||
2021-01-22 | Remove selection of reflections for FoM to libcrystfel | Thomas White | |
2021-01-22 | Improve names for FoM API | Thomas White | |
2021-01-22 | Move figure of merit calculation into libcrystfel | Thomas White | |
2021-01-22 | GUI: Set default values for FoM parameters | Thomas White | |
2021-01-22 | Remove doc/stream-format.txt | Thomas White | |
The tiny amount of information in that file isn't relevant (or even correct..) any more. | |||
2021-01-21 | GUI: Implement choice of input for merging | Thomas White | |
2021-01-20 | GUI: Implement merge results | Thomas White | |
2021-01-15 | Correct P to R centering | Thomas White | |
2021-01-15 | Formatting | Thomas White | |
2021-01-14 | Correct bad region coordinates | Thomas White | |
Bad regions are specified (in the geometry file) in terms of the "file" coordinates, which might be different to the panel-relative ones. | |||
2021-01-14 | Remove old debugging | Thomas White | |
2021-01-14 | Avoid very slow loop over pixels to create bad pixel map | Thomas White | |
Bad regions specified in terms of x/y still require an iteration over all pixels of the detector, but I don't see an easy way around that. Avoiding x/y bad regions will give best performance. | |||
2021-01-14 | Stream: Remove in_chunk | Thomas White | |
It's not used any more - nowhere is it set to 1. | |||
2021-01-14 | stream_open_for_read: Avoid using fseek() | Thomas White | |
2021-01-14 | data_template_new_from_string: Fix error path | Thomas White | |
2021-01-12 | Fussiness | Thomas White | |
2021-01-11 | create_badmap: Break down into subroutines | Thomas White | |
Also flips the order of iteration for (negligibly) better performance | |||
2021-01-11 | resolution(): Use reciprocal representation instead of crystallographic | Thomas White | |
This avoids a load of trigonometric functions. In combination with the new UnitCell representation caching, this gives a significant speedup for cases where resolution() is called in a loop. | |||
2021-01-11 | UnitCell: Store all representations once they're calculated | Thomas White | |
Previously, the "getter" functions would re-calculate the requested representation every time they were called. This could mean doing a matrix inversion in the middle of a tight loop, wasting loads of time. Now, it stores the calculated values and returns them directly next time. Setting the parameters invalidates the values for all representations other than the one given. The cost of doing this is that the cell can no longer be "const" in the getter functions. This tracked through some other code, but nothing too severe. | |||
2021-01-08 | detgeom_transform_coords: Avoid using trigonometric functions | Thomas White | |
2021-01-08 | Update documentation about max_adu, and add a warning | Thomas White | |
2021-01-08 | Remove "Bragg proximity check" during integration | Thomas White | |
This test is meant to avoid integrating overlapping spots. It does a very bad job of this, because it doesn't take into account whether the neighbouring reflection is actually excited, or even allowed by the lattice. It's even worse when we think about wide bandwidth. | |||
2021-01-08 | locate_peak_on_panel: Check sign of 1/mu | Thomas White | |
2021-01-07 | GUI: Basic labelling of reflections | Thomas White | |
Lots of improvements still to be made here, such as using the "real" Cairo text API as well as using proper overlines for negative indices. | |||
2021-01-07 | Formatting fussiness | Thomas White | |
2021-01-06 | Use smaller profile radii in partialator tests | Thomas White | |
The radii are not used (the tests only check scaling), but must pass the newly-added check in partialator. | |||
2021-01-06 | partialator: Reject crystals with obviously too large profile radii | Thomas White | |
The criterion for "too large" is 20% of the 1/d value for the lowest reflection which is not systematically absent according to the centering. A profile radius larger than the 1/d value for a reflection will crash the xsphere partiality model, and some visualisation shows that this is a clearly non-physical situation. The profile radius shouldn't be anywhere near the inter-Bragg spacing for reasonable data. However, feedback shows that this is happening quite often in real data, probably due to bad indexing. | |||
2021-01-05 | Fix comment typo | Thomas White | |
2021-01-05 | Remove unused structure member | Thomas White | |
2020-12-18 | Improve documentation about file-based peak lists | Thomas White | |
2020-12-18 | Add peak_list_type in geometry file | Thomas White | |
2020-12-16 | Add flag_{lessthan,morethan,equal} in geometry file | Thomas White | |
This makes handling Pilatus/Eiger files, as well as many others, much easier. | |||
2020-12-14 | Meson: Try finding SLURM libraries via pkg-config first | Thomas White | |
2020-12-14 | Meson: Add GSL to libcrystfel's declare_dependency() | Thomas White | |
2020-12-11 | Skeleton figure of merit window for GUI | Thomas White | |
2020-12-11 | Fix comments | Thomas White | |
2020-12-11 | result -> indexing_result | Thomas White | |
Because shortly we will have merging_result as well | |||
2020-12-07 | Rearrange tabs for merge options | Thomas White | |
This makes the interface consistent between the indexing options and the merging options. | |||
2020-12-07 | Get rid of ImageFeature->rx,ry,rz | Thomas White | |
These needed to be kept up to date with a call to map_all_peaks every time anything changed - wavelength, detector position etc. Not doing so has already led to bugs in another branch, and probably already causes problems on this branch. This patch eliminates the rx,ry,rz completely. Anyone who needs reciprocal space coordinates for a peak is now responsible for calling detgeom_transform_coords themselves. | |||
2020-12-07 | GUI: Save and restore the selected result | Thomas White | |
2020-12-07 | GUI: Select result when loading stream | Thomas White | |
2020-12-04 | GUI: Set number of threads for merging | Thomas White | |
2020-12-04 | CrystFELMergeOpts: Checkbox disable/deactivation logic | Thomas White | |
2020-12-04 | SLURM: Cancel merging jobs properly | Thomas White | |